SCHEMBL6152763

SCHEMBL6152763

Cc1ccc(C)n1-c1cccc(-c2ccc(OCc3ccccc3)c3c2C2CCC3C2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.48
NOS1 P29475 1/20 0.48
NOS2 P35228 1/20 0.48
PTGER1 P34995 10/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM1A O60341 4/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
GABRG2 P18507 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6153073 0.84 NOS3 (0.47) NOS3NOS1NOS2TDP1
SCHEMBL6152661 0.82 NOS3 (0.71) NOS3NOS1NOS2
SCHEMBL5833356 0.81 NOS3 (0.43) NOS3NOS1NOS2PTGER1MAPT
SCHEMBL8405425 0.81 NOS3 (0.46) NOS3NOS1NOS2
SCHEMBL6581983 0.80 MEN1 (0.41)
SCHEMBL6152398 0.80 NOS3 (0.45) NOS3NOS1NOS2
SCHEMBL6152762 0.80 NOS3 (0.46) NOS3NOS1NOS2PTGER1HTR1A
SCHEMBL6152642 0.79 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL5834002 0.79 NOS3 (0.47) NOS3NOS1NOS2PTGER1MAPT
SCHEMBL6583443 0.77 ALOX5AP (0.41)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084109-B1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PROD INC (US) 2005-01-26 EP disclosed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 US disclosed
EP-1084109-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062883-A1 2-AMINOPYRIDINES CONTAINING FUSED RING SUBSTITUENTS AS NITRIC OXIDE SYNTHASE INHIBITORS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 NOS3 2/4885NOS1 1/4885NOS2 6/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.